UCSF

ZINC24340630

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 8.73 -8.19 0 5 0 55 285.347 4
Lo Low (pH 4.5-6) 2.78 9.18 -35.25 1 5 1 57 286.355 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )